Spektraris NMR
Garciniaflavone B
Common Name: Garciniaflavone B
Synonyms: 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H- 1-benzopyran-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-[(2- hydroxy-3-methyl-3-buten-1-yl)oxy]-2-(4-hydroxyphenyl)-
CAS Registry Number: 1622306-45-9
InChI:
InChIKey:
Formula: C35H26O11
Molecular Weight: 622.582
Exact Mass: 622.1475
NMR Solvent: acetone-d6
MHz: 400 (1H), 100 (13C)
Calibration: TMS
NMR references: Ito, T., Yokota, R., Watarai, T., Mori, K., Oyama, M., Nagasawa, H., Matsuda, H., Iinuma, M. (2013). Isolation of Six Isoprenylated Biflavonoids from the Leaves of Garcinia subelliptica. Chem Pharm. Bull. 61, 551-558.
Species: Garcinia subelliptica - Ito, T., Yokota, R., Watarai, T., Mori, K., Oyama, M., Nagasawa, H., Matsuda, H., Iinuma, M. (2013). Isolation of Six Isoprenylated Biflavonoids from the Leaves of Garcinia subelliptica. Chem Pharm. Bull. 61, 551-558.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3 | 6.82 | d | 1.2 |
| 6 | 6.2 | br s | |
| 8 | 6.47 | br s | |
| 2' | 7.99 | br s | |
| 5' | 7.16 | d | 8.8 |
| 6' | 8 | d | 8.8 |
| 3" | 6.85 | s | |
| 6" (signals for a pair of conformers) | 6.68 | s | |
| 6'' | 6.69 | s | |
| 2''' | 7.61 | d | 8.8 |
| 3''' | 6.75 | d | 8.8 |
| 5''' | 6.75 | d | 8.8 |
| 6''' | 7.61 | d | 8.8 |
| 1'''' | 4.04 | m | |
| 1'''' | 4.11 | m | |
| 2'''' | 4.11 | m | |
| 4'''' (signals for a pair of conformers) | 4.65 | s | |
| 4'''' | 7.71 | s | |
| 4'''' (signals for a pair of conformers) | 4.8 | s | |
| 4'''' | 4.85 | s | |
| 5'''' (signals for a pair of conformers) | 1.61 | s | |
| 5'''' | 1.62 | s | |
| 5-OH | 13 | s | |
| 5"-OH | 13.27 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 163.9 |
| 3 | 102.9 |
| 4 | 181.7 |
| 5 | 161.8 |
| 6 | 98.9 |
| 7 | 164.3 |
| 8 | 94 |
| 9 | 157.4 |
| 10 | 103.6 |
| 1' | 120.9 |
| 2' | 131.8 |
| 3' | 119.3 |
| 4' | 159.4 |
| 5' | 116 |
| 6' | 127.7 |
| 2" | 164.1 |
| 3" | 102.6 |
| 4" | 182.3 |
| 5" | 161.2 |
| 6" | 96.3 |
| 7" | 161.9 |
| 8" | 105.2 |
| 9" | 153.7 |
| 10" | 104.2 |
| 1''' | 121.3 |
| 2''' | 128.4 |
| 3''' | 115.8 |
| 4''' | 161.4 |
| 5''' | 115.8 |
| 6''' | 128.4 |
| 1'''' | 71.9 |
| 2'''' (signals for a pair of conformers) | 71.4 |
| 2'''' | 71.6 |
| 3'''' | 145 |
| 4'''' (signals for a pair of conformers) | 111.6 |
| 4'''' | 111.8 |
